2-[4-[1,3-benzodioxol-5-yl(ethyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[1,3-benzodioxol-5-yl(ethyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[1,3-benzodioxol-5-yl(ethyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[1,3-benzodioxol-5-yl(ethyl)amino]-oxomethyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[1,3-benzodioxol-5-yl(ethyl)carbamoyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[1,3-benzodioxol-5-yl(ethyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C30H29N3O5 MolecularWeight: 511.56836

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)OCO2)C(=O)C3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

Isomeric SMILES

CCN(C1=CC2=C(C=C1)OCO2)C(=O)C3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

InChI

InChI=1S/C30H29N3O5/c1-2-32(23-13-15-26-27(17-23)38-18-37-26)29(34)20-10-8-19(9-11-20)28-31-24-16-21(30(35)36)12-14-25(24)33(28)22-6-4-3-5-7-22/h8-17,22H,2-7,18H2,1H3,(H,35,36)